X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fmolread_zs.F;h=2726f174bf6b80bdf63531fa597e4e3936526753;hb=d4479dd2119d03a168ef9526875205081c53e5a9;hp=49ff15c32cf78afcaa86631b523185e809cd9d21;hpb=3dbe5ceeea4b858bc25fa1469237e697c0bf293f;p=unres.git diff --git a/source/wham/src/molread_zs.F b/source/wham/src/molread_zs.F index 49ff15c..2726f17 100644 --- a/source/wham/src/molread_zs.F +++ b/source/wham/src/molread_zs.F @@ -52,9 +52,9 @@ C Convert sequence to numeric code write (iout,'(20i4)') (itype(i),i=1,nres) do i=1,nres-1 #ifdef PROCOR - if (itype(i).eq.21 .or. itype(i+1).eq.21) then + if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) then #else - if (itype(i).eq.21) then + if (itype(i).eq.ntyp1) then #endif itel(i)=0 #ifdef PROCOR @@ -91,8 +91,8 @@ C Convert sequence to numeric code nnt=1 nct=nres - if (itype(1).eq.21) nnt=2 - if (itype(nres).eq.21) nct=nct-1 + if (itype(1).eq.ntyp1) nnt=2 + if (itype(nres).eq.ntyp1) nct=nct-1 write(iout,*) 'NNT=',NNT,' NCT=',NCT c Read distance restraints if (constr_dist.gt.0) then